N-[(2,4-dichlorophenyl)methyl]thietan-3-amine

C10H11Cl2NS — CID 130679532

IUPACN-[(2,4-dichlorophenyl)methyl]thietan-3-amine
SMILESClc1ccc(CNC2CSC2)c(Cl)c1
InChIInChI=1S/C10H11Cl2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2
InChIKeyALUBTNVWYXWVEK-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.20
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]thietan-3-amine

N-[(2,4-dichlorophenyl)methyl]thietan-3-amine (PubChem CID 130679532) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]thietan-3-amine
PubChem CID130679532
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC NameN-[(2,4-dichlorophenyl)methyl]thietan-3-amine
SMILESClc1ccc(CNC2CSC2)c(Cl)c1
InChIInChI=1S/C10H11Cl2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2
InChIKeyALUBTNVWYXWVEK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
N-[(2-bromo-5-chlorophenyl)methyl]thiolan-3-amine
CID 103707744
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]thietan-3-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]thietan-3-amine (CID 130679532) is N-[(2,4-dichlorophenyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]thietan-3-amine is Clc1ccc(CNC2CSC2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]thietan-3-amine?
The InChIKey is ALUBTNVWYXWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]thietan-3-amine?
N-[(2,4-dichlorophenyl)methyl]thietan-3-amine has a molecular weight of 248.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]thietan-3-amine is sourced from PubChem (CID 130679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).